carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium

C22H44NNb-3 — CID 162492397

IUPACcarbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium
SMILESCCC(C)(C)N=[Nb].CCC1[CH-]C(CC)CCC1.[CH-]1CCCCC1.[CH3-]
InChIInChI=1S/C10H19.C6H11.C5H11N.CH3.Nb/c1-3-9-6-5-7-10(4-2)8-9;1-2-4-6-5-3-1;1-4-5(2,3)6;;/h8-10H,3-7H2,1-2H3;1H,2-6H2;4H2,1-3H3;1H3;/q2*-1;;-1;
InChIKeyNMDBJFJKSQLAGO-UHFFFAOYSA-N
MW415.51 g/mol
LogP7.94
Rot. Bonds4

About carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium

carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium (PubChem CID 162492397) has the molecular formula C22H44NNb-3 and a molecular weight of 415.51 g/mol. Its IUPAC name is carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium.

Molecular Properties

Compound Namecarbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium
PubChem CID162492397
Molecular FormulaC22H44NNb-3
Molecular Weight415.51 g/mol
Exact Mass415.26
IUPAC Namecarbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium
SMILESCCC(C)(C)N=[Nb].CCC1[CH-]C(CC)CCC1.[CH-]1CCCCC1.[CH3-]
InChIInChI=1S/C10H19.C6H11.C5H11N.CH3.Nb/c1-3-9-6-5-7-10(4-2)8-9;1-2-4-6-5-3-1;1-4-5(2,3)6;;/h8-10H,3-7H2,1-2H3;1H,2-6H2;4H2,1-3H3;1H3;/q2*-1;;-1;
InChIKeyNMDBJFJKSQLAGO-UHFFFAOYSA-N
XLogP7.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

cyclohexane;ethane;1-ethyl-3-methylcyclohexane;2-methylbutan-2-yliminotantalum
CID 162492404
carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)
CID 162492282
tert-butyliminotantalum;cyclohexane;ethane;1-ethyl-3-methylcyclohexane
CID 162492425
cyclohexane;1,3-dimethylcyclohexane;ethane;2-methylbutan-2-yliminotantalum
CID 162492279
bis(cyclohexane);ethane;2-methylbutan-2-yliminotantalum
CID 162492377
cyclohexane;ethane;2-methylbutan-2-yliminotantalum;methylcyclohexane
CID 162492242
tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane
CID 162492427
cyclohexane;1,3-dimethylcyclohexane;ethane;2-methylbutan-2-yliminotantalum
CID 162492324
tris(diethylazanide);2-methylbutan-2-yliminoniobium
CID 175814454
carbanide;cyclohexane;tungsten(2+);yttrium
CID 59233956
lithium 1,3-dipropylcyclohexane
CID 22129109
cyclohexane;holmium
CID 176977160

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium?
The IUPAC name of carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium (CID 162492397) is carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium.
What is the SMILES notation for carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium?
The canonical SMILES for carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium is CCC(C)(C)N=[Nb].CCC1[CH-]C(CC)CCC1.[CH-]1CCCCC1.[CH3-].
What is the InChIKey of carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium?
The InChIKey is NMDBJFJKSQLAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19.C6H11.C5H11N.CH3.Nb/c1-3-9-6-5-7-10(4-2)8-9;1-2-4-6-5-3-1;1-4-5(2,3)6;;/h8-10H,3-7H2,1-2H3;1H,2-6H2;4H2,1-3H3;1H3;/q2*-1;;-1;.
What are the key properties of carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium?
carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium has a molecular weight of 415.51 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium is sourced from PubChem (CID 162492397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).